Project name: C16_A6_GH_A71_EF_GSG
Status: done
Started: 2026-07-21 11:04:52
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQGSGYPTFGEHKQATNLQYGQCGSGVRLDDCGLTEARCKDISSALRVGSGYPTFGEHKQATNLQYGQCGSGELNLRSNELGDVGVHCVLQGLQGSGYPTFGEHKQATNLQYGQCGSGKLSLQNCCLTGAGCGVLSSTLRTGSGYPTFGEHKQATNLQYGQCGSGELHLSDNLLGDAGLQLLCEGLLGSGYPTFGEHKQATNLQYGQCGSGKLQLEYCSLSAASCEPLASVLRAGSGYPTFGEHKQATNLQYGQCGSGELTVSNNDINEAGVRVLCQGLKDGSGYPTFGEHKQATNLQYGQCGSGALKLESCGVTSDNCRDLCGIVASGSGYPTFGEHKQATNLQYGQCGSGELALGSNKLGDVGMAELCPGLLGSGTEDSHPPYKQTQPGAGSGTLWIWECGITAKGCGDLCRVLRAGSGTEDSHPPYKQTQPGAGSGELSLAGNELGDEGARLLCETLLGSGTEDSHPPYKQTQPGAGSGSLWVKSCSFTAACCSHFSSVLAQGSGTEDSHPPYKQTQPGAGSGELQISNNRLEDAGVRELCQGLGGSGTEDSHPPYKQTQPGAGSGVLWLADCDVSDSSCSSLAATLLAGSGTEDSHPPYKQTQPGAGSGELDLSNNCLGDAGILQLVESVRGSGTEDSHPPYKQTQPGAGSGQLVLYDIYWSEEMEDRLQALEKDGSGTEDSHPPYKQTQPGAGSGRVIS
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | No |
| alphaCutter usage | No |
| Dynamic mode | Yes |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] FoldX: Starting FoldX energy minimization (00:00:00)
[INFO] CABS: Running CABS flex simulation (00:11:32)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (02:37:10)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (02:37:16)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (02:37:20)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (02:37:25)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (02:37:30)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (02:37:35)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (02:37:40)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (02:37:45)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (02:37:50)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (02:37:55)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (02:37:59)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (02:38:04)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (02:38:09)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (02:38:21)
[INFO] Main: Simulation completed successfully. (02:38:26)
|
Note Your prediction results will be deleted after 360 days.
Drag cursor over the plot to display residue labels.
Show buried residues
- Minimal score value
- -4.7277
- Maximal score value
- 1.695
- Average score
- -0.8511
- Total score value
- -620.4828
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | S | A | 0.6153 | |
| 2 | L | A | 1.5467 | |
| 3 | D | A | 0.7131 | |
| 4 | I | A | 1.6950 | |
| 5 | Q | A | -0.0204 | |
| 6 | S | A | -0.3672 | |
| 7 | L | A | -0.2190 | |
| 8 | D | A | -1.9661 | |
| 9 | I | A | 0.0000 | |
| 10 | Q | A | -2.4753 | |
| 11 | C | A | 0.0000 | |
| 12 | E | A | -2.3347 | |
| 13 | E | A | -1.8704 | |
| 14 | L | A | -0.9640 | |
| 15 | S | A | -1.7981 | |
| 16 | D | A | -2.5112 | |
| 17 | A | A | -2.0639 | |
| 18 | R | A | -3.0392 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -1.7391 | |
| 21 | E | A | -2.3224 | |
| 22 | L | A | 0.0000 | |
| 23 | L | A | 0.0000 | |
| 24 | P | A | -0.0251 | |
| 25 | L | A | 0.8785 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | 0.0509 | |
| 28 | G | A | -0.0424 | |
| 29 | S | A | -0.1188 | |
| 30 | G | A | -0.1459 | |
| 31 | Y | A | 0.4768 | |
| 32 | P | A | -0.1788 | |
| 33 | T | A | -0.5097 | |
| 34 | F | A | 0.0000 | |
| 35 | G | A | -1.5465 | |
| 36 | E | A | -3.1092 | |
| 37 | H | A | -3.8751 | |
| 38 | K | A | -4.1447 | |
| 39 | Q | A | -3.5382 | |
| 40 | A | A | 0.0000 | |
| 41 | T | A | -2.0019 | |
| 42 | N | A | -2.2347 | |
| 43 | L | A | 0.0000 | |
| 44 | Q | A | -2.2564 | |
| 45 | Y | A | 0.0000 | |
| 46 | G | A | -1.1868 | |
| 47 | Q | A | 0.0000 | |
| 48 | C | A | -0.5630 | |
| 49 | G | A | 0.0000 | |
| 50 | S | A | 0.0000 | |
| 51 | G | A | 0.0000 | |
| 52 | V | A | 0.0000 | |
| 53 | R | A | -1.5502 | |
| 54 | L | A | 0.0000 | |
| 55 | D | A | -2.3392 | |
| 56 | D | A | -2.4938 | |
| 57 | C | A | 0.0000 | |
| 58 | G | A | 0.0000 | |
| 59 | L | A | 0.0000 | |
| 60 | T | A | -1.3975 | |
| 61 | E | A | -1.7267 | |
| 62 | A | A | -1.5627 | |
| 63 | R | A | -1.5745 | |
| 64 | C | A | 0.0000 | |
| 65 | K | A | -2.6476 | |
| 66 | D | A | -1.9179 | |
| 67 | I | A | 0.0000 | |
| 68 | S | A | 0.0000 | |
| 69 | S | A | -1.2412 | |
| 70 | A | A | 0.0000 | |
| 71 | L | A | 0.0000 | |
| 72 | R | A | -1.3315 | |
| 73 | V | A | 0.6526 | |
| 74 | G | A | 0.0000 | |
| 75 | S | A | -0.2668 | |
| 76 | G | A | -0.3195 | |
| 77 | Y | A | 0.1217 | |
| 78 | P | A | -0.0211 | |
| 79 | T | A | -0.5651 | |
| 80 | F | A | 0.0000 | |
| 81 | G | A | -2.2463 | |
| 82 | E | A | -3.9318 | |
| 83 | H | A | 0.0000 | |
| 84 | K | A | -4.3673 | |
| 85 | Q | A | -3.3969 | |
| 86 | A | A | 0.0000 | |
| 87 | T | A | -1.7291 | |
| 88 | N | A | -1.9636 | |
| 89 | L | A | 0.0000 | |
| 90 | Q | A | -2.0468 | |
| 91 | Y | A | 0.0000 | |
| 92 | G | A | -1.6696 | |
| 93 | Q | A | -1.9126 | |
| 94 | C | A | 0.0000 | |
| 95 | G | A | 0.0000 | |
| 96 | S | A | -0.5243 | |
| 97 | G | A | 0.0000 | |
| 98 | E | A | 0.0000 | |
| 99 | L | A | 0.0000 | |
| 100 | N | A | 0.0000 | |
| 101 | L | A | 0.0000 | |
| 102 | R | A | -2.2957 | |
| 103 | S | A | -1.8333 | |
| 104 | N | A | 0.0000 | |
| 105 | E | A | -2.6995 | |
| 106 | L | A | 0.0000 | |
| 107 | G | A | -1.1493 | |
| 108 | D | A | -1.2159 | |
| 109 | V | A | 0.6520 | |
| 110 | G | A | 0.0000 | |
| 111 | V | A | 0.0000 | |
| 112 | H | A | -0.8246 | |
| 113 | C | A | -1.1354 | |
| 114 | V | A | 0.0000 | |
| 115 | L | A | 0.0000 | |
| 116 | Q | A | -1.6609 | |
| 117 | G | A | 0.0000 | |
| 118 | L | A | -0.6169 | |
| 119 | Q | A | 0.0000 | |
| 120 | G | A | -0.5710 | |
| 121 | S | A | -0.4522 | |
| 122 | G | A | -0.1318 | |
| 123 | Y | A | -0.1089 | |
| 124 | P | A | 0.0000 | |
| 125 | T | A | -0.2371 | |
| 126 | F | A | 0.0000 | |
| 127 | G | A | -1.8917 | |
| 128 | E | A | -3.3939 | |
| 129 | H | A | 0.0000 | |
| 130 | K | A | -3.9787 | |
| 131 | Q | A | -2.6437 | |
| 132 | A | A | 0.0000 | |
| 133 | T | A | -1.2736 | |
| 134 | N | A | -1.7657 | |
| 135 | L | A | 0.0000 | |
| 136 | Q | A | -1.3909 | |
| 137 | Y | A | 0.0000 | |
| 138 | G | A | -1.4696 | |
| 139 | Q | A | -1.7496 | |
| 140 | C | A | 0.0000 | |
| 141 | G | A | 0.0000 | |
| 142 | S | A | -0.5987 | |
| 143 | G | A | -0.3584 | |
| 144 | K | A | -0.2697 | |
| 145 | L | A | 0.0000 | |
| 146 | S | A | 0.0000 | |
| 147 | L | A | 0.0000 | |
| 148 | Q | A | 0.0000 | |
| 149 | N | A | -1.6839 | |
| 150 | C | A | 0.0000 | |
| 151 | C | A | 0.0000 | |
| 152 | L | A | 0.0000 | |
| 153 | T | A | -0.9659 | |
| 154 | G | A | -0.5929 | |
| 155 | A | A | 0.0000 | |
| 156 | G | A | -0.5154 | |
| 157 | C | A | 0.0000 | |
| 158 | G | A | -0.2890 | |
| 159 | V | A | -0.3112 | |
| 160 | L | A | 0.0000 | |
| 161 | S | A | 0.0000 | |
| 162 | S | A | -0.9924 | |
| 163 | T | A | -0.7376 | |
| 164 | L | A | -0.8075 | |
| 165 | R | A | -1.8986 | |
| 166 | T | A | -1.0838 | |
| 167 | G | A | 0.0000 | |
| 168 | S | A | -0.5814 | |
| 169 | G | A | -0.4475 | |
| 170 | Y | A | 0.0000 | |
| 171 | P | A | -0.1612 | |
| 172 | T | A | 0.0000 | |
| 173 | F | A | 0.0000 | |
| 174 | G | A | -1.9166 | |
| 175 | E | A | -3.6070 | |
| 176 | H | A | 0.0000 | |
| 177 | K | A | -3.7418 | |
| 178 | Q | A | -2.4871 | |
| 179 | A | A | 0.0000 | |
| 180 | T | A | -1.0061 | |
| 181 | N | A | -1.6897 | |
| 182 | L | A | 0.0000 | |
| 183 | Q | A | -1.4861 | |
| 184 | Y | A | 0.0000 | |
| 185 | G | A | 0.0000 | |
| 186 | Q | A | 0.0000 | |
| 187 | C | A | -0.3073 | |
| 188 | G | A | -0.6056 | |
| 189 | S | A | -0.7325 | |
| 190 | G | A | -0.7833 | |
| 191 | E | A | 0.0000 | |
| 192 | L | A | 0.0000 | |
| 193 | H | A | -0.5190 | |
| 194 | L | A | 0.0000 | |
| 195 | S | A | 0.0000 | |
| 196 | D | A | -1.0714 | |
| 197 | N | A | -1.5797 | |
| 198 | L | A | 0.0000 | |
| 199 | L | A | 0.0000 | |
| 200 | G | A | -1.2828 | |
| 201 | D | A | -1.5927 | |
| 202 | A | A | -0.7688 | |
| 203 | G | A | 0.0000 | |
| 204 | L | A | 0.0000 | |
| 205 | Q | A | -1.0728 | |
| 206 | L | A | -0.2120 | |
| 207 | L | A | 0.0000 | |
| 208 | C | A | 0.0000 | |
| 209 | E | A | -0.7433 | |
| 210 | G | A | 0.0000 | |
| 211 | L | A | -0.1565 | |
| 212 | L | A | 0.0919 | |
| 213 | G | A | -0.5788 | |
| 214 | S | A | -0.5929 | |
| 215 | G | A | -0.1122 | |
| 216 | Y | A | 0.5054 | |
| 217 | P | A | 0.1300 | |
| 218 | T | A | -0.3602 | |
| 219 | F | A | -0.9421 | |
| 220 | G | A | 0.0000 | |
| 221 | E | A | -3.9052 | |
| 222 | H | A | 0.0000 | |
| 223 | K | A | -3.7923 | |
| 224 | Q | A | -2.5597 | |
| 225 | A | A | 0.0000 | |
| 226 | T | A | -1.4052 | |
| 227 | N | A | -2.0768 | |
| 228 | L | A | 0.0000 | |
| 229 | Q | A | -1.7075 | |
| 230 | Y | A | 0.0000 | |
| 231 | G | A | -0.8956 | |
| 232 | Q | A | -0.5038 | |
| 233 | C | A | -0.1723 | |
| 234 | G | A | -0.4637 | |
| 235 | S | A | -0.7391 | |
| 236 | G | A | -1.0223 | |
| 237 | K | A | -0.8661 | |
| 238 | L | A | 0.0000 | |
| 239 | Q | A | -0.3761 | |
| 240 | L | A | 0.0000 | |
| 241 | E | A | -0.7678 | |
| 242 | Y | A | 0.0453 | |
| 243 | C | A | 0.0000 | |
| 244 | S | A | -1.0434 | |
| 245 | L | A | 0.0000 | |
| 246 | S | A | -0.8027 | |
| 247 | A | A | -0.7231 | |
| 248 | A | A | -0.8354 | |
| 249 | S | A | 0.0000 | |
| 250 | C | A | 0.0000 | |
| 251 | E | A | -1.9635 | |
| 252 | P | A | -1.3328 | |
| 253 | L | A | 0.0000 | |
| 254 | A | A | -1.6835 | |
| 255 | S | A | -1.1098 | |
| 256 | V | A | 0.0000 | |
| 257 | L | A | -1.3681 | |
| 258 | R | A | -2.6136 | |
| 259 | A | A | -1.1705 | |
| 260 | G | A | -0.9488 | |
| 261 | S | A | -0.3933 | |
| 262 | G | A | -0.3500 | |
| 263 | Y | A | 0.2732 | |
| 264 | P | A | 0.0000 | |
| 265 | T | A | -0.1765 | |
| 266 | F | A | 0.0000 | |
| 267 | G | A | 0.0000 | |
| 268 | E | A | -3.3639 | |
| 269 | H | A | 0.0000 | |
| 270 | K | A | -3.5381 | |
| 271 | Q | A | -2.7534 | |
| 272 | A | A | 0.0000 | |
| 273 | T | A | -1.3835 | |
| 274 | N | A | -1.8216 | |
| 275 | L | A | 0.0000 | |
| 276 | Q | A | -1.5977 | |
| 277 | Y | A | 0.0000 | |
| 278 | G | A | -0.8108 | |
| 279 | Q | A | 0.0000 | |
| 280 | C | A | -0.2274 | |
| 281 | G | A | -0.4701 | |
| 282 | S | A | -0.5928 | |
| 283 | G | A | -0.6508 | |
| 284 | E | A | -0.6656 | |
| 285 | L | A | -0.3127 | |
| 286 | T | A | -0.5532 | |
| 287 | V | A | 0.0000 | |
| 288 | S | A | 0.0000 | |
| 289 | N | A | -1.4021 | |
| 290 | N | A | -1.6540 | |
| 291 | D | A | -1.2063 | |
| 292 | I | A | 0.8182 | |
| 293 | N | A | -0.6426 | |
| 294 | E | A | -1.0475 | |
| 295 | A | A | -0.6420 | |
| 296 | G | A | 0.0000 | |
| 297 | V | A | 0.0000 | |
| 298 | R | A | -1.9649 | |
| 299 | V | A | -1.2061 | |
| 300 | L | A | 0.0000 | |
| 301 | C | A | 0.0000 | |
| 302 | Q | A | -2.1629 | |
| 303 | G | A | 0.0000 | |
| 304 | L | A | -1.8192 | |
| 305 | K | A | -2.8984 | |
| 306 | D | A | -3.2413 | |
| 307 | G | A | -2.3742 | |
| 308 | S | A | -1.4852 | |
| 309 | G | A | -0.8466 | |
| 310 | Y | A | -0.1177 | |
| 311 | P | A | -0.0549 | |
| 312 | T | A | -0.0391 | |
| 313 | F | A | 0.0000 | |
| 314 | G | A | -1.3410 | |
| 315 | E | A | -2.9884 | |
| 316 | H | A | -3.0150 | |
| 317 | K | A | -3.3813 | |
| 318 | Q | A | -2.3633 | |
| 319 | A | A | 0.0000 | |
| 320 | T | A | -1.1634 | |
| 321 | N | A | -1.3355 | |
| 322 | L | A | 0.0000 | |
| 323 | Q | A | -1.2514 | |
| 324 | Y | A | 0.0000 | |
| 325 | G | A | -0.8437 | |
| 326 | Q | A | -0.7723 | |
| 327 | C | A | 0.0000 | |
| 328 | G | A | -0.5538 | |
| 329 | S | A | -0.4514 | |
| 330 | G | A | -0.4413 | |
| 331 | A | A | -0.3853 | |
| 332 | L | A | 0.0000 | |
| 333 | K | A | -0.8631 | |
| 334 | L | A | 0.0000 | |
| 335 | E | A | -2.2190 | |
| 336 | S | A | -1.9756 | |
| 337 | C | A | 0.0000 | |
| 338 | G | A | 0.0000 | |
| 339 | V | A | 0.0000 | |
| 340 | T | A | -1.3235 | |
| 341 | S | A | -1.3305 | |
| 342 | D | A | -2.1419 | |
| 343 | N | A | 0.0000 | |
| 344 | C | A | 0.0000 | |
| 345 | R | A | -2.5131 | |
| 346 | D | A | -1.8296 | |
| 347 | L | A | 0.0000 | |
| 348 | C | A | -0.5228 | |
| 349 | G | A | -0.8424 | |
| 350 | I | A | -0.8409 | |
| 351 | V | A | -0.1686 | |
| 352 | A | A | -0.0729 | |
| 353 | S | A | -0.6585 | |
| 354 | G | A | 0.0000 | |
| 355 | S | A | 0.0000 | |
| 356 | G | A | 0.0000 | |
| 357 | Y | A | -0.2788 | |
| 358 | P | A | 0.0000 | |
| 359 | T | A | -0.3819 | |
| 360 | F | A | -0.6786 | |
| 361 | G | A | -1.0782 | |
| 362 | E | A | -2.2486 | |
| 363 | H | A | 0.0000 | |
| 364 | K | A | -3.2161 | |
| 365 | Q | A | -2.8040 | |
| 366 | A | A | -1.6096 | |
| 367 | T | A | -0.9820 | |
| 368 | N | A | -1.2153 | |
| 369 | L | A | 0.0000 | |
| 370 | Q | A | -1.0664 | |
| 371 | Y | A | -0.5441 | |
| 372 | G | A | -0.8274 | |
| 373 | Q | A | -1.3306 | |
| 374 | C | A | 0.0000 | |
| 375 | G | A | -0.7077 | |
| 376 | S | A | -0.4317 | |
| 377 | G | A | -0.4803 | |
| 378 | E | A | -0.4377 | |
| 379 | L | A | 0.0000 | |
| 380 | A | A | 0.0000 | |
| 381 | L | A | 0.0000 | |
| 382 | G | A | 0.0000 | |
| 383 | S | A | 0.0000 | |
| 384 | N | A | -2.9775 | |
| 385 | K | A | -2.7910 | |
| 386 | L | A | 0.0000 | |
| 387 | G | A | -0.6241 | |
| 388 | D | A | -0.3635 | |
| 389 | V | A | 1.1487 | |
| 390 | G | A | 0.0000 | |
| 391 | M | A | 0.0000 | |
| 392 | A | A | -0.3455 | |
| 393 | E | A | -0.8325 | |
| 394 | L | A | 0.0000 | |
| 395 | C | A | 0.0000 | |
| 396 | P | A | -0.3100 | |
| 397 | G | A | 0.0000 | |
| 398 | L | A | 0.0000 | |
| 399 | L | A | 0.6066 | |
| 400 | G | A | 0.2631 | |
| 401 | S | A | -0.2991 | |
| 402 | G | A | -0.8558 | |
| 403 | T | A | -1.1244 | |
| 404 | E | A | -1.6648 | |
| 405 | D | A | -2.4670 | |
| 406 | S | A | -1.5401 | |
| 407 | H | A | 0.0000 | |
| 408 | P | A | -1.0407 | |
| 409 | P | A | -0.7311 | |
| 410 | Y | A | -0.8699 | |
| 411 | K | A | -1.9074 | |
| 412 | Q | A | 0.0000 | |
| 413 | T | A | -1.3941 | |
| 414 | Q | A | 0.0000 | |
| 415 | P | A | -1.0398 | |
| 416 | G | A | 0.0000 | |
| 417 | A | A | -0.2384 | |
| 418 | G | A | -0.2437 | |
| 419 | S | A | -0.6244 | |
| 420 | G | A | -0.3149 | |
| 421 | T | A | -0.3622 | |
| 422 | L | A | 0.0000 | |
| 423 | W | A | 0.1705 | |
| 424 | I | A | 0.0000 | |
| 425 | W | A | -0.9844 | |
| 426 | E | A | -2.4296 | |
| 427 | C | A | 0.0000 | |
| 428 | G | A | -2.3404 | |
| 429 | I | A | 0.0000 | |
| 430 | T | A | -1.2287 | |
| 431 | A | A | -1.0158 | |
| 432 | K | A | -0.6650 | |
| 433 | G | A | 0.0000 | |
| 434 | C | A | 0.0000 | |
| 435 | G | A | -1.2022 | |
| 436 | D | A | -1.1380 | |
| 437 | L | A | 0.0000 | |
| 438 | C | A | 0.0000 | |
| 439 | R | A | -2.2804 | |
| 440 | V | A | -0.9986 | |
| 441 | L | A | -1.3171 | |
| 442 | R | A | -2.6656 | |
| 443 | A | A | -1.2882 | |
| 444 | G | A | -1.1839 | |
| 445 | S | A | 0.0000 | |
| 446 | G | A | -1.4886 | |
| 447 | T | A | -1.1324 | |
| 448 | E | A | -1.6698 | |
| 449 | D | A | -1.7699 | |
| 450 | S | A | -1.5767 | |
| 451 | H | A | -1.9478 | |
| 452 | P | A | -1.4533 | |
| 453 | P | A | -1.5313 | |
| 454 | Y | A | 0.0000 | |
| 455 | K | A | -2.0913 | |
| 456 | Q | A | 0.0000 | |
| 457 | T | A | 0.0000 | |
| 458 | Q | A | -1.0911 | |
| 459 | P | A | -0.7629 | |
| 460 | G | A | -0.7687 | |
| 461 | A | A | -0.5844 | |
| 462 | G | A | -0.9924 | |
| 463 | S | A | -0.7554 | |
| 464 | G | A | -0.5284 | |
| 465 | E | A | -0.5811 | |
| 466 | L | A | 0.0000 | |
| 467 | S | A | -0.2042 | |
| 468 | L | A | 0.0000 | |
| 469 | A | A | 0.0000 | |
| 470 | G | A | 0.0000 | |
| 471 | N | A | -2.7949 | |
| 472 | E | A | -2.8374 | |
| 473 | L | A | 0.0000 | |
| 474 | G | A | -1.6165 | |
| 475 | D | A | -1.7408 | |
| 476 | E | A | -1.9747 | |
| 477 | G | A | 0.0000 | |
| 478 | A | A | 0.0000 | |
| 479 | R | A | -1.9378 | |
| 480 | L | A | -1.3049 | |
| 481 | L | A | 0.0000 | |
| 482 | C | A | 0.0000 | |
| 483 | E | A | -1.2610 | |
| 484 | T | A | -1.1581 | |
| 485 | L | A | 0.0000 | |
| 486 | L | A | 0.2156 | |
| 487 | G | A | -0.6646 | |
| 488 | S | A | 0.0000 | |
| 489 | G | A | 0.0000 | |
| 490 | T | A | -0.9200 | |
| 491 | E | A | -1.8011 | |
| 492 | D | A | -2.4786 | |
| 493 | S | A | -1.5978 | |
| 494 | H | A | 0.0000 | |
| 495 | P | A | -0.6988 | |
| 496 | P | A | -0.9389 | |
| 497 | Y | A | -1.2185 | |
| 498 | K | A | -2.3217 | |
| 499 | Q | A | -1.6574 | |
| 500 | T | A | -1.1198 | |
| 501 | Q | A | -1.0352 | |
| 502 | P | A | -0.8690 | |
| 503 | G | A | 0.0000 | |
| 504 | A | A | 0.0000 | |
| 505 | G | A | 0.0000 | |
| 506 | S | A | -0.5308 | |
| 507 | G | A | -0.4239 | |
| 508 | S | A | -0.5410 | |
| 509 | L | A | 0.0000 | |
| 510 | W | A | -0.1074 | |
| 511 | V | A | 0.0000 | |
| 512 | K | A | -1.3206 | |
| 513 | S | A | -1.7516 | |
| 514 | C | A | 0.0000 | |
| 515 | S | A | -1.4360 | |
| 516 | F | A | 0.0000 | |
| 517 | T | A | -0.8343 | |
| 518 | A | A | -1.0684 | |
| 519 | A | A | -0.6096 | |
| 520 | C | A | 0.0000 | |
| 521 | C | A | 0.0000 | |
| 522 | S | A | -1.0092 | |
| 523 | H | A | -0.7149 | |
| 524 | F | A | 0.0000 | |
| 525 | S | A | -0.9298 | |
| 526 | S | A | -0.4282 | |
| 527 | V | A | -0.2516 | |
| 528 | L | A | 0.0000 | |
| 529 | A | A | -0.6522 | |
| 530 | Q | A | -0.3848 | |
| 531 | G | A | 0.0000 | |
| 532 | S | A | 0.0000 | |
| 533 | G | A | -1.7921 | |
| 534 | T | A | 0.0000 | |
| 535 | E | A | -2.8912 | |
| 536 | D | A | 0.0000 | |
| 537 | S | A | -1.1588 | |
| 538 | H | A | -0.7321 | |
| 539 | P | A | -0.4741 | |
| 540 | P | A | -0.4414 | |
| 541 | Y | A | -0.4289 | |
| 542 | K | A | -2.0791 | |
| 543 | Q | A | 0.0000 | |
| 544 | T | A | -1.0847 | |
| 545 | Q | A | 0.0000 | |
| 546 | P | A | -0.5521 | |
| 547 | G | A | -0.8045 | |
| 548 | A | A | -0.6593 | |
| 549 | G | A | -0.7592 | |
| 550 | S | A | -0.6782 | |
| 551 | G | A | -0.5434 | |
| 552 | E | A | -0.8994 | |
| 553 | L | A | 0.0000 | |
| 554 | Q | A | 0.0000 | |
| 555 | I | A | 0.0000 | |
| 556 | S | A | 0.0000 | |
| 557 | N | A | -1.5492 | |
| 558 | N | A | -2.2036 | |
| 559 | R | A | -1.6720 | |
| 560 | L | A | 0.0000 | |
| 561 | E | A | -3.0523 | |
| 562 | D | A | -3.1116 | |
| 563 | A | A | -2.0096 | |
| 564 | G | A | 0.0000 | |
| 565 | V | A | 0.0000 | |
| 566 | R | A | -2.9809 | |
| 567 | E | A | -2.2589 | |
| 568 | L | A | 0.0000 | |
| 569 | C | A | -1.5133 | |
| 570 | Q | A | -2.0121 | |
| 571 | G | A | 0.0000 | |
| 572 | L | A | -0.9106 | |
| 573 | G | A | -1.0007 | |
| 574 | G | A | -1.0436 | |
| 575 | S | A | -1.4221 | |
| 576 | G | A | -1.7134 | |
| 577 | T | A | 0.0000 | |
| 578 | E | A | -3.2361 | |
| 579 | D | A | -2.6524 | |
| 580 | S | A | -1.6517 | |
| 581 | H | A | -1.3101 | |
| 582 | P | A | -0.8193 | |
| 583 | P | A | -0.8802 | |
| 584 | Y | A | -1.3408 | |
| 585 | K | A | -2.6572 | |
| 586 | Q | A | -2.1199 | |
| 587 | T | A | 0.0000 | |
| 588 | Q | A | 0.0000 | |
| 589 | P | A | -1.3398 | |
| 590 | G | A | -1.0108 | |
| 591 | A | A | -0.6948 | |
| 592 | G | A | -0.7853 | |
| 593 | S | A | 0.0000 | |
| 594 | G | A | -0.5425 | |
| 595 | V | A | 0.0000 | |
| 596 | L | A | 0.0000 | |
| 597 | W | A | 0.0000 | |
| 598 | L | A | 0.0000 | |
| 599 | A | A | 0.0000 | |
| 600 | D | A | -1.5588 | |
| 601 | C | A | 0.0000 | |
| 602 | D | A | 0.0000 | |
| 603 | V | A | 0.0000 | |
| 604 | S | A | -1.7314 | |
| 605 | D | A | -2.0336 | |
| 606 | S | A | -1.5502 | |
| 607 | S | A | 0.0000 | |
| 608 | C | A | 0.0000 | |
| 609 | S | A | -0.8298 | |
| 610 | S | A | -1.0011 | |
| 611 | L | A | 0.0000 | |
| 612 | A | A | 0.0000 | |
| 613 | A | A | 0.1009 | |
| 614 | T | A | -0.1500 | |
| 615 | L | A | 0.4803 | |
| 616 | L | A | 0.8046 | |
| 617 | A | A | 0.2980 | |
| 618 | G | A | -0.3288 | |
| 619 | S | A | -0.2778 | |
| 620 | G | A | -0.8091 | |
| 621 | T | A | -1.2757 | |
| 622 | E | A | -1.7550 | |
| 623 | D | A | -1.8055 | |
| 624 | S | A | -1.2816 | |
| 625 | H | A | 0.0000 | |
| 626 | P | A | -0.7328 | |
| 627 | P | A | -0.5321 | |
| 628 | Y | A | -0.3008 | |
| 629 | K | A | -1.9863 | |
| 630 | Q | A | -1.8845 | |
| 631 | T | A | -1.6318 | |
| 632 | Q | A | -2.1314 | |
| 633 | P | A | -1.3292 | |
| 634 | G | A | -1.3462 | |
| 635 | A | A | -1.1494 | |
| 636 | G | A | -1.0588 | |
| 637 | S | A | 0.0000 | |
| 638 | G | A | -0.2777 | |
| 639 | E | A | 0.0000 | |
| 640 | L | A | 0.0000 | |
| 641 | D | A | 0.0000 | |
| 642 | L | A | 0.0000 | |
| 643 | S | A | 0.0000 | |
| 644 | N | A | -1.2973 | |
| 645 | N | A | -1.4393 | |
| 646 | C | A | -1.1568 | |
| 647 | L | A | 0.0000 | |
| 648 | G | A | -1.1673 | |
| 649 | D | A | -1.8126 | |
| 650 | A | A | -1.2462 | |
| 651 | G | A | 0.0000 | |
| 652 | I | A | 0.0000 | |
| 653 | L | A | -1.4147 | |
| 654 | Q | A | -1.8592 | |
| 655 | L | A | 0.0000 | |
| 656 | V | A | 0.0000 | |
| 657 | E | A | -2.5100 | |
| 658 | S | A | -1.2797 | |
| 659 | V | A | 0.0000 | |
| 660 | R | A | -3.0721 | |
| 661 | G | A | -1.8606 | |
| 662 | S | A | -1.0722 | |
| 663 | G | A | -0.8876 | |
| 664 | T | A | -1.3431 | |
| 665 | E | A | 0.0000 | |
| 666 | D | A | -1.8607 | |
| 667 | S | A | -1.1467 | |
| 668 | H | A | -1.0757 | |
| 669 | P | A | -0.4595 | |
| 670 | P | A | -0.1578 | |
| 671 | Y | A | -0.1093 | |
| 672 | K | A | -1.6929 | |
| 673 | Q | A | -1.7607 | |
| 674 | T | A | -1.3973 | |
| 675 | Q | A | -1.8669 | |
| 676 | P | A | -1.5343 | |
| 677 | G | A | -1.6276 | |
| 678 | A | A | 0.0000 | |
| 679 | G | A | -1.0215 | |
| 680 | S | A | 0.0000 | |
| 681 | G | A | 0.0000 | |
| 682 | Q | A | -0.2343 | |
| 683 | L | A | 0.0000 | |
| 684 | V | A | 0.8008 | |
| 685 | L | A | 0.0000 | |
| 686 | Y | A | -0.4598 | |
| 687 | D | A | -0.8393 | |
| 688 | I | A | -0.3907 | |
| 689 | Y | A | 0.0000 | |
| 690 | W | A | -0.2693 | |
| 691 | S | A | -1.9495 | |
| 692 | E | A | -3.4789 | |
| 693 | E | A | -3.9483 | |
| 694 | M | A | 0.0000 | |
| 695 | E | A | -3.9411 | |
| 696 | D | A | -4.7277 | |
| 697 | R | A | -4.5055 | |
| 698 | L | A | -3.0767 | |
| 699 | Q | A | -3.9598 | |
| 700 | A | A | -3.7023 | |
| 701 | L | A | 0.0000 | |
| 702 | E | A | -4.1037 | |
| 703 | K | A | -4.0357 | |
| 704 | D | A | -4.2200 | |
| 705 | G | A | -3.0385 | |
| 706 | S | A | -2.5304 | |
| 707 | G | A | -1.9059 | |
| 708 | T | A | -1.8377 | |
| 709 | E | A | -2.9066 | |
| 710 | D | A | -2.0216 | |
| 711 | S | A | -1.3327 | |
| 712 | H | A | -0.9383 | |
| 713 | P | A | -0.5040 | |
| 714 | P | A | 0.0000 | |
| 715 | Y | A | 0.5259 | |
| 716 | K | A | -0.8255 | |
| 717 | Q | A | -0.9753 | |
| 718 | T | A | -1.2112 | |
| 719 | Q | A | -1.9143 | |
| 720 | P | A | -1.5483 | |
| 721 | G | A | -1.3184 | |
| 722 | A | A | -1.1011 | |
| 723 | G | A | -1.0914 | |
| 724 | S | A | -0.8780 | |
| 725 | G | A | -0.5180 | |
| 726 | R | A | 0.2476 | |
| 727 | V | A | 0.9946 | |
| 728 | I | A | 0.0000 | |
| 729 | S | A | -1.3745 |
3Dmol can be expensive computationally for big molecules. If you experience lag or delay click on the "Play the video" button instead.
CABS-flex predictions of flexibility of input structure
In dynamic mode, A4D analysis is performed on the set of models reflecting fluctuations of the input structure (predicted
by CABS-flex method, models are numbered from 0 to 11) and the input model.
Their A4D scores are provided below in the table.
The right panel presents comparison of the most aggregation prone model (with the highest A4D score, -0.8511 in this case) with the input model
(the most aggregation prone model in blue, input in red) and RMSF plot which shows the extent of residue fluctuations in Angstroms (predicted by CABS-flex).
Model |
Average A4D Score |
|||
| model_6 | -0.8511 | View | CSV | PDB |
| model_8 | -0.8579 | View | CSV | PDB |
| model_5 | -0.8729 | View | CSV | PDB |
| model_1 | -0.8732 | View | CSV | PDB |
| model_9 | -0.8752 | View | CSV | PDB |
| model_0 | -0.8781 | View | CSV | PDB |
| model_3 | -0.8967 | View | CSV | PDB |
| CABS_average | -0.8986 | View | CSV | PDB |
| model_7 | -0.9037 | View | CSV | PDB |
| model_4 | -0.9182 | View | CSV | PDB |
| model_10 | -0.9414 | View | CSV | PDB |
| model_2 | -0.948 | View | CSV | PDB |
| model_11 | -0.9664 | View | CSV | PDB |
| input | -1.0144 | View | CSV | PDB |
ALA alanine
ARG arginine
ASN asparagine
ASP aspartic acid
CYS cysteine
GLN glutamine
GLU glutamic acid
GLY glycine
HIS histidine
ILE isoleucine
LEU leucine
LYS lysine
MET methionine
PHE phenylalanine
PRO proline
SER serine
THR threonine
TRP tryptophan
TYR tyrosine
VAL valine